(3R,4R)-6-bromanyl-3-methyl-3-piperidin-1-ium-1-yl-2,4-dihydrochromen-4-ol

Systemtic Name: (3R,4R)-6-bromanyl-3-methyl-3-piperidin-1-ium-1-yl-2,4-dihydrochromen-4-ol Openeye Name: (3R,4R)-6-bromo-3-methyl-3-piperidin-1-ium-1-yl-chroman-4-ol CAS Name: (3R,4R)-6-bromo-3-methyl-3-(1-piperidin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (3R,4R)-6-bromo-3-methyl-3-piperidin-1-ium-1-yl-2,4-dihydrochromen-4-ol Traditional Name: (3R,4R)-6-bromo-3-methyl-3-piperidin-1-ium-1-yl-chroman-4-ol Formula: C15H21BrNO2+ MolecularWeight: 327.23674

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C1O)C=C(C=C2)Br)[NH+]3CCCCC3

Isomeric SMILES

C[C@]1(COC2=C([C@H]1O)C=C(C=C2)Br)[NH+]3CCCCC3

InChI

InChI=1S/C15H20BrNO2/c1-15(17-7-3-2-4-8-17)10-19-13-6-5-11(16)9-12(13)14(15)18/h5-6,9,14,18H,2-4,7-8,10H2,1H3/p+1/t14-,15-/m1/s1